B   LATTICE,NONEQUIV.ATOMS   3  199 I213                                       
MODE OF CALC=RELA unit=bohr                                                    
 15.382371 15.382371 15.382371 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.32800000 Y=0.00000000 Z=0.25000000
          MULT= 6          ISPLIT= 8
      -1: X=0.67200000 Y=0.50000000 Z=0.25000000
      -1: X=0.25000000 Y=0.32800000 Z=0.00000000
      -1: X=0.75000000 Y=0.17200000 Z=0.00000000
      -1: X=0.00000000 Y=0.25000000 Z=0.32800000
      -1: X=0.00000000 Y=0.75000000 Z=0.17200000
Hg         NPT=  781  R0=.000005000 RMT= 2.50000     Z:  80.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -2: X=0.28800000 Y=0.28800000 Z=0.28800000
          MULT= 4          ISPLIT= 4
      -2: X=0.71200000 Y=0.21200000 Z=0.28800000
      -2: X=0.28800000 Y=0.71200000 Z=0.21200000
      -2: X=0.71200000 Y=0.78800000 Z=0.21200000
S          NPT=  781  R0=.000100000 RMT= 1.96        Z:  16.00000              
LOCAL ROT MATRIX:    0.7071068 0.4082483 0.5773503
                    -0.7071068 0.4082483 0.5773503
                     0.0000000-0.8164966 0.5773503
ATOM  -3: X=0.04000000 Y=0.04000000 Z=0.04000000
          MULT= 4          ISPLIT= 4
      -3: X=0.96000000 Y=0.46000000 Z=0.04000000
      -3: X=0.04000000 Y=0.96000000 Z=0.46000000
      -3: X=0.96000000 Y=0.54000000 Z=0.46000000
F          NPT=  781  R0=.000100000 RMT= 2.27        Z:   9.00000              
LOCAL ROT MATRIX:    0.7071068 0.4082483 0.5773503
                    -0.7071068 0.4082483 0.5773503
                     0.0000000-0.8164966 0.5773503